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CAS No.: | 266360-55-8 |
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Name: | N-ACETYL-3-(2,5-DIFLUOROPHENYL)-D-ALANINE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H11F2NO3 |
Molecular Weight: | 243.21 |
Synonyms: | N-acetyl-3-(2,5-difluorophenyl)-D-alanine; |
Density: | 1.343 g/cm3 |
Boiling Point: | 448.186 °C at 760 mmHg |
Flash Point: | 224.855 °C |
PSA: | 66.40000 |
LogP: | 1.48750 |
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This chemical is called D-Phenylalanine, N-acetyl-2,5-difluoro-, and it can also be named as N-Acetyl-2,5-difluoro-D-phenylalanine. With the molecular formula of C11H11F2NO3, its molecular weight is 243.21. The CAS registry number of this chemical is 266360-55-8.
Other characteristics of the D-Phenylalanine, N-acetyl-2,5-difluoro- can be summarised as followings: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 66.4 Å2; (7)Index of Refraction: 1.517; (8)Molar Refractivity: 54.83 cm3; (9)Molar Volume: 181.1 cm3; (10)Polarizability: 21.73×10-24cm3; (11)Surface Tension: 45.2 dyne/cm; (12)Density: 1.342 g/cm3; (13)Flash Point: 224.9 °C; (14)Enthalpy of Vaporization: 74.47 kJ/mol; (15)Boiling Point: 448.2 °C at 760 mmHg; (16)Vapour Pressure: 8.11E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(F)cc1C[C@@H](NC(C)=O)C(O)=O
2.InChI: InChI=1/C11H11F2NO3/c1-6(15)14-10(11(16)17)5-7-4-8(12)2-3-9(7)13/h2-4,10H,5H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1
3.InChIKey: WJRDSRFBLPWNBZ-SNVBAGLBBU